3-propan-2-yl-5-(trifluoromethoxy)-1,2,4-thiadiazole

C6H7F3N2OS — CID 144946124

IUPAC3-propan-2-yl-5-(trifluoromethoxy)-1,2,4-thiadiazole
SMILESCC(C)c1nsc(OC(F)(F)F)n1
InChIInChI=1S/C6H7F3N2OS/c1-3(2)4-10-5(13-11-4)12-6(7,8)9/h3H,1-2H3
InChIKeyKETFQXAKEUHDNY-UHFFFAOYSA-N
MW212.20 g/mol
LogP2.56
Rot. Bonds2

About 3-propan-2-yl-5-(trifluoromethoxy)-1,2,4-thiadiazole

3-propan-2-yl-5-(trifluoromethoxy)-1,2,4-thiadiazole (PubChem CID 144946124) has the molecular formula C6H7F3N2OS and a molecular weight of 212.20 g/mol. Its IUPAC name is 3-propan-2-yl-5-(trifluoromethoxy)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-propan-2-yl-5-(trifluoromethoxy)-1,2,4-thiadiazole
PubChem CID144946124
Molecular FormulaC6H7F3N2OS
Molecular Weight212.20 g/mol
Exact Mass212.02
IUPAC Name3-propan-2-yl-5-(trifluoromethoxy)-1,2,4-thiadiazole
SMILESCC(C)c1nsc(OC(F)(F)F)n1
InChIInChI=1S/C6H7F3N2OS/c1-3(2)4-10-5(13-11-4)12-6(7,8)9/h3H,1-2H3
InChIKeyKETFQXAKEUHDNY-UHFFFAOYSA-N
XLogP2.56
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Propan-2-yl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 59300522
5-(Difluoromethoxy)-3-pentyl-1,2,4-thiadiazole
CID 67720931
5-Ethyl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 68235669
3-Methyl-5-(trifluoromethoxy)-1,2,4-thiadiazole
CID 118466199
3-Ethyl-5-fluoro-1,2,4-thiadiazole
CID 123276911
5-Methyl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole
CID 135170702
5-Propan-2-yl-3-(trifluoromethoxy)-1,2,4-thiadiazole
CID 144946119
5-Chloro-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole
CID 79964450
5-Iodo-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole
CID 102618331
3-Methyl-5-(2,2,2-trifluoroethoxy)-1,2,4-thiadiazole
CID 126954286
5-(2,2-Difluoroethoxy)-3-methyl-1,2,4-thiadiazole
CID 126954289
3-Cyclopropyl-5-(2,2,2-trifluoroethoxy)-1,2,4-thiadiazole
CID 126954582

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-(trifluoromethoxy)-1,2,4-thiadiazole?
The IUPAC name of 3-propan-2-yl-5-(trifluoromethoxy)-1,2,4-thiadiazole (CID 144946124) is 3-propan-2-yl-5-(trifluoromethoxy)-1,2,4-thiadiazole.
What is the SMILES notation for 3-propan-2-yl-5-(trifluoromethoxy)-1,2,4-thiadiazole?
The canonical SMILES for 3-propan-2-yl-5-(trifluoromethoxy)-1,2,4-thiadiazole is CC(C)c1nsc(OC(F)(F)F)n1.
What is the InChIKey of 3-propan-2-yl-5-(trifluoromethoxy)-1,2,4-thiadiazole?
The InChIKey is KETFQXAKEUHDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2OS/c1-3(2)4-10-5(13-11-4)12-6(7,8)9/h3H,1-2H3.
What are the key properties of 3-propan-2-yl-5-(trifluoromethoxy)-1,2,4-thiadiazole?
3-propan-2-yl-5-(trifluoromethoxy)-1,2,4-thiadiazole has a molecular weight of 212.20 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-(trifluoromethoxy)-1,2,4-thiadiazole is sourced from PubChem (CID 144946124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).